1-[(R)-(3-chloro-2-fluorophenyl)-thiophen-2-ylmethyl]piperazine;hydrochloride

C15H17Cl2FN2S — CID 171180423

IUPAC1-[(R)-(3-chloro-2-fluorophenyl)-thiophen-2-ylmethyl]piperazine;hydrochloride
SMILESCl.Fc1c(Cl)cccc1[C@H](c1cccs1)N1CCNCC1
InChIInChI=1S/C15H16ClFN2S.ClH/c16-12-4-1-3-11(14(12)17)15(13-5-2-10-20-13)19-8-6-18-7-9-19;/h1-5,10,15,18H,6-9H2;1H/t15-;/m1./s1
InChIKeyVIORPBIJINYQOY-XFULWGLBSA-N
MW347.29 g/mol
LogP3.96
Rot. Bonds3

About 1-[(R)-(3-chloro-2-fluorophenyl)-thiophen-2-ylmethyl]piperazine;hydrochloride

1-[(R)-(3-chloro-2-fluorophenyl)-thiophen-2-ylmethyl]piperazine;hydrochloride (PubChem CID 171180423) has the molecular formula C15H17Cl2FN2S and a molecular weight of 347.29 g/mol. Its IUPAC name is 1-[(R)-(3-chloro-2-fluorophenyl)-thiophen-2-ylmethyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(R)-(3-chloro-2-fluorophenyl)-thiophen-2-ylmethyl]piperazine;hydrochloride
PubChem CID171180423
Molecular FormulaC15H17Cl2FN2S
Molecular Weight347.29 g/mol
Exact Mass346.05
IUPAC Name1-[(R)-(3-chloro-2-fluorophenyl)-thiophen-2-ylmethyl]piperazine;hydrochloride
SMILESCl.Fc1c(Cl)cccc1[C@H](c1cccs1)N1CCNCC1
InChIInChI=1S/C15H16ClFN2S.ClH/c16-12-4-1-3-11(14(12)17)15(13-5-2-10-20-13)19-8-6-18-7-9-19;/h1-5,10,15,18H,6-9H2;1H/t15-;/m1./s1
InChIKeyVIORPBIJINYQOY-XFULWGLBSA-N
XLogP3.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.29
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(R)-(3-chloro-2-fluorophenyl)-thiophen-2-ylmethyl]piperazine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(R)-(3,6-dichloro-2-fluorophenyl)-thiophen-2-ylmethyl]piperazine
CID 171181440
1-[(S)-(3,6-dichloro-2-fluorophenyl)-thiophen-2-ylmethyl]piperazine
CID 171178009
1-[(R)-(2-chloro-4-fluorophenyl)-thiophen-2-ylmethyl]piperazine;hydrochloride
CID 171179722
1-[(R)-(2-chloro-4-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171277028
1-[(2,3-dichlorophenyl)-thiophen-2-ylmethyl]-1,4-diazepane
CID 3844646
2-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol;dihydrochloride
CID 171287287
1-[(R)-(3-chloro-2,6-difluorophenyl)-thiophen-2-ylmethyl]piperazine
CID 171180326
1-[(R)-[2-chloro-3-(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]piperazine;hydrochloride
CID 171180467
1-[(S)-[2-chloro-3-(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171292676
1-[(S)-[2-chloro-5-(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171292780
2-fluoro-3-methyl-6-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol
CID 171300376
2,4-dichloro-6-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol
CID 171272195

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(3-chloro-2-fluorophenyl)-thiophen-2-ylmethyl]piperazine;hydrochloride?
The IUPAC name of 1-[(R)-(3-chloro-2-fluorophenyl)-thiophen-2-ylmethyl]piperazine;hydrochloride (CID 171180423) is 1-[(R)-(3-chloro-2-fluorophenyl)-thiophen-2-ylmethyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(R)-(3-chloro-2-fluorophenyl)-thiophen-2-ylmethyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(R)-(3-chloro-2-fluorophenyl)-thiophen-2-ylmethyl]piperazine;hydrochloride is Cl.Fc1c(Cl)cccc1[C@H](c1cccs1)N1CCNCC1.
What is the InChIKey of 1-[(R)-(3-chloro-2-fluorophenyl)-thiophen-2-ylmethyl]piperazine;hydrochloride?
The InChIKey is VIORPBIJINYQOY-XFULWGLBSA-N. The full InChI is InChI=1S/C15H16ClFN2S.ClH/c16-12-4-1-3-11(14(12)17)15(13-5-2-10-20-13)19-8-6-18-7-9-19;/h1-5,10,15,18H,6-9H2;1H/t15-;/m1./s1.
What are the key properties of 1-[(R)-(3-chloro-2-fluorophenyl)-thiophen-2-ylmethyl]piperazine;hydrochloride?
1-[(R)-(3-chloro-2-fluorophenyl)-thiophen-2-ylmethyl]piperazine;hydrochloride has a molecular weight of 347.29 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(3-chloro-2-fluorophenyl)-thiophen-2-ylmethyl]piperazine;hydrochloride is sourced from PubChem (CID 171180423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).